4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride

C15H30Cl2N4O3 — CID 119834225

IUPAC4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride
SMILESCNCCCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1.Cl.Cl
InChIInChI=1S/C15H28N4O3.2ClH/c1-16-4-2-3-14(20)18-7-5-17(6-8-18)13-15(21)19-9-11-22-12-10-19;;/h16H,2-13H2,1H3;2*1H
InChIKeyGIVOKWQWZYKQOW-UHFFFAOYSA-N
MW385.34 g/mol
LogP-0.17
Rot. Bonds6

About 4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride

4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride (PubChem CID 119834225) has the molecular formula C15H30Cl2N4O3 and a molecular weight of 385.34 g/mol. Its IUPAC name is 4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride
PubChem CID119834225
Molecular FormulaC15H30Cl2N4O3
Molecular Weight385.34 g/mol
Exact Mass384.17
IUPAC Name4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride
SMILESCNCCCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1.Cl.Cl
InChIInChI=1S/C15H28N4O3.2ClH/c1-16-4-2-3-14(20)18-7-5-17(6-8-18)13-15(21)19-9-11-22-12-10-19;;/h16H,2-13H2,1H3;2*1H
InChIKeyGIVOKWQWZYKQOW-UHFFFAOYSA-N
XLogP-0.17
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide
CID 113266090
N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride
CID 119837473
N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide
CID 119837474
4-(methylamino)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 60840946
2-[4-(methylamino)piperidin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 119923636
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-(methylamino)butan-1-one
CID 62890166
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840080
N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 55412983
1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119732360

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride?
The IUPAC name of 4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride (CID 119834225) is 4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride.
What is the SMILES notation for 4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride?
The canonical SMILES for 4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride is CNCCCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1.Cl.Cl.
What is the InChIKey of 4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride?
The InChIKey is GIVOKWQWZYKQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3.2ClH/c1-16-4-2-3-14(20)18-7-5-17(6-8-18)13-15(21)19-9-11-22-12-10-19;;/h16H,2-13H2,1H3;2*1H.
What are the key properties of 4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride?
4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 119834225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).